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Dresden 2026 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 50: Electronic structure theory II

Dienstag, 10. März 2026, 14:30–16:15, TRE/PHYS

14:30 O 50.1 Efficient DFPT for 2D Films in the FLAPW Code FLEUR — •Thomas Bornhake, Alexander Neukirchen, Gregor Michalicek, Daniel Wortmann, Gustav Bihlmayer, and Stefan Blügel
14:45 O 50.2 Valence only FLOSIC with pseudo core electrons — •Simon Liebing and Jens Kortus
15:00 O 50.3 Spectroscopy of chemisorped systems from a first-principles local-orbital representation — •Simiam Ghan and Jens Nørskov
15:15 O 50.4 Quantum-mechanical analysis of the 4H-SiC surface — •Kateřina Dočkalová, Martin Friák, and Jana Pavlů
15:30 O 50.5 Quantifying conductance variations in single molecule junctions using machine learning — •Hector Vazquez
15:45 O 50.6 Towards Accurate Surface Adsorption Through a Numeric-Orbital FDET Framework — •Danjo De Chavez and Reinhard J. Maurer
16:00 O 50.7 Brillouin zone sampling in ONETEP — •Chengcheng Xiao, Peter Haynes, and Arash Mostofi
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